Molecular dynamics simulation of grain size effect on friction and wear of nanocrystalline zirconium

Zhu, Kehao; Zhang, Xiaoyu; Yuan, Xinlu; Li, Gen; Ren, Pingdi

doi:10.1177/1350650120945079

Cited by 6 publications

(5 citation statements)

References 38 publications

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“…When the sliding distance is greater than 15 nm, the friction coefficient tends to be stable. The reason for this phenomenon is that the difference in energy released by atomic bond breakage caused by the change of friction contact area [39] leads to the change of normal force and friction force, thus affecting the coefficient of friction.…”

Section: Simulation Of Friction Coefficient and Analysis Based On Two...mentioning

confidence: 99%

Molecular dynamics analysis of friction-triggering process with spherical probe

Cheng¹,

Chen²,

Jian³

et al. 2022

Surf. Topogr.: Metrol. Prop.

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Molecular dynamics simulation with embedded atom method/Finnis–Sinclair potential function was utilised to study the friction properties of the friction-triggering process at the mesoscopic scale. The sliding friction process of a spherical probe with different diameters on the surface of a single-crystal aluminum matrix was simulated and the influences of sliding friction on the atomic behaviour of the surface under different contact conditions were analysed. The relationship between contact force and friction coefficient with spherical diameter was studied. The research shows that the plastic groove, normal force and friction force increase with the increase in probe diameter in the sliding friction process. The contribution of increasing spherical diameter to normal force is greater than that of friction force. The coefficient of friction varies with the ratio of the actual contact area to the normal force. After the running-in process is stable, the friction coefficient fluctuates around a certain value as theoretically verified by the two-term friction law. The increase in the diameter of the spherical probe leads to the increase in the number of dislocation atoms in the workpiece and the formation of dislocation rings, which result in the difference in the sliding friction process under indenters with different diameters. The results provide valuable reference for friction-triggering measurement based on 3D nanometre probes such as friction force microscopy.

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Section: Simulation Of Friction Coefficient and Analysis Based On Two...mentioning

confidence: 99%

Molecular dynamics analysis of friction-triggering process with spherical probe

Cheng¹,

Chen²,

Jian³

et al. 2022

Surf. Topogr.: Metrol. Prop.

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show abstract

“…In recent years, the molecular dynamics (MD) simulation approach has emerged as an important alternative in the nanomaterial field and played a significant role in the study of the microstructure and properties of materials on a molecular scale. 9–14 Zhu et al 15 investigate the frictional behaviors between diamond tool and zirconium (Zr) substrates at the nanoscale by MD simulation. In their study, the friction forces had similar variation tendencies under different sliding velocities.…”

Section: Introductionmentioning

confidence: 99%

Mechanisms of friction and wear reduction by nanosilver additives to base oil: Molecular dynamics simulation and experimental study

Chen,

Hu,

Wang

et al. 2023

Proceedings of the Institution of Mechanical Engineers, Part J:

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Although nanosilver particles are commonly used as oil lubrication additives, their mechanism for improving lubrication at the atomic scale remains unclear. This article explains how the performance of a pentaerythritol oleate lubrication system can be improved using silver nanoparticles through molecular dynamics simulation. Additionally, tribological tests were conducted using a reciprocating friction and wear testing machine. The relative concentrations and simulated shear conformation revealed that silver nanoparticles underwent deformation under shear stress and fractured at the interlayer slip. This resulted in the formation of a deposited film that spread over both the top and bottom Fe layers. We characterized the interaction between pentaerythritol oleate molecular chains and Fe layers by analyzing interfacial interaction energies, mean square displacements, and self-diffusion coefficients. Our findings indicate that the presence of silver nanoparticles improves both the adsorption of pentaerythritol oleate molecular chains onto the Fe layer and their diffusion behavior. The results of tribological tests indicate that adding silver nanoparticles significantly reduces friction coefficient and frictional wear across various lubrication conditions. The addition of silver nanoparticles at different loads and temperatures resulted in varying reductions in the coefficient of friction and wear. At a load of 20 N and a temperature of 298 K, the coefficient of friction decreased by 9%, and wear decreased by 31%. When the load was reduced to 2 N while maintaining a temperature of 298 K, the coefficient of friction decreased by 8% and wear decreased significantly by 84%. Finally, at a load of 20 N but with an increased temperature to 373 K, there was a larger reduction in the coefficient of friction (23%) compared to wear (50%). The film-formation mechanism of improved lubrication by silver nanoparticles was verified through tribological tests and simulations.

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“…Although nano-machining can reduce the machined surface roughness to the nanoscale, previous studies have found that defects like dislocations, cracks, and stress concentration may still occur in the workpiece during the processing. [6][7][8]20 Therefore, several methods have been proposed to improve the surface quality of the workpiece. Surface modification is the process of changing the original structure of the atoms on the workpiece, destroying the atomic structure of the workpiece before processing, causing the long-range ordered atoms on the workpiece's surface to become long-range disordered atoms, or adding a defending film to the workpiece to improve the processing surface of the workpiece.…”

Section: Introductionmentioning

confidence: 99%

Influence of the metal coating on nano-cutting process of cubic silicon carbide

Hu,

Dai

2023

Proceedings of the Institution of Mechanical Engineers, Part J:

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The effect of the metal coating on the machinability of cubic silicon carbide was investigated by molecular dynamics simulation. The effect of the metal coating on the surface of the workpiece was explained using cutting force, friction coefficient, surface morphology, stress, temperature, and tool wear. The results show that the influence of metal type on cutting force, surface morphology, and stress is insignificant for coating thickness. However, the model with Cu coating has a tool suspension key number of 400 at the maximum cutting distance. The number of tool suspension keys for the Ni-Ti coating model is around 1700, indicating that the type of coating has a significant impact on tool wear. Furthermore, the results also show that in the three metals of Cu, Ni and Ni -Ti, Cu coating has the greatest impact on improving cutting performance. Among them, the average cutting force of 1.5 nm Cu coating is about 33.3% lower than that of without coating, and the tool wear is about 26.7% lower. These results demonstrate the effects of the metal coating on the workpiece surface from a theoretical point of view.

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Molecular dynamics simulation of grain size effect on friction and wear of nanocrystalline zirconium

Cited by 6 publications

References 38 publications

Molecular dynamics analysis of friction-triggering process with spherical probe

Molecular dynamics analysis of friction-triggering process with spherical probe

Mechanisms of friction and wear reduction by nanosilver additives to base oil: Molecular dynamics simulation and experimental study

Influence of the metal coating on nano-cutting process of cubic silicon carbide

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